N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide

C15H11FN2O2 — CID 103789878

IUPACN-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(F)nc3)cc2c1
InChIInChI=1S/C15H11FN2O2/c1-9-2-4-12-10(6-9)7-13(20-12)15(19)18-11-3-5-14(16)17-8-11/h2-8H,1H3,(H,18,19)
InChIKeyZDXSFFKCZUULEK-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.53
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide

N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 103789878) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID103789878
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(F)nc3)cc2c1
InChIInChI=1S/C15H11FN2O2/c1-9-2-4-12-10(6-9)7-13(20-12)15(19)18-11-3-5-14(16)17-8-11/h2-8H,1H3,(H,18,19)
InChIKeyZDXSFFKCZUULEK-UHFFFAOYSA-N
XLogP3.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 17014859
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 61093527
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 79515377
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide (CID 103789878) is N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(F)nc3)cc2c1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZDXSFFKCZUULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-2-4-12-10(6-9)7-13(20-12)15(19)18-11-3-5-14(16)17-8-11/h2-8H,1H3,(H,18,19).
What are the key properties of N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 270.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103789878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).